SCHEMBL28645142

SCHEMBL28645142

CC(C)(C)c1ccccc1NC(=O)c1ccc2ccccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28653173 0.78 SMN1; SMN2 (0.51) MAPTALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL6844201 0.77 KDM4E (0.48) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL28647431 0.77 CYP1A2 (0.51) MEN1KMT2AGAAMAPTALDH1A1
Bromide SCHEMBL28658159 0.77 SMN1; SMN2 (0.50) MAPTALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL15505756 0.75 PLK1 (0.64) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL21652210 0.73 ALDH1A1 (0.57) MAPTALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL21652212 0.73 MEN1 (0.56) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL485110 0.72 CNR2 (0.44) MAPTKDM4ERXFP1SMN1; SMN2NPC1
SCHEMBL6592127 0.72 F10 (0.56) MEN1KMT2AGAANPC1RAB9A
SCHEMBL12918684 0.72 SMN1; SMN2 (0.64) MEN1KMT2AGAAMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372184-B Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy 武汉大学 2023-08-18 CN disclosed
CN-113372184-A Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy 武汉大学 2021-09-10 CN disclosed